Structure 4112913

4112912 << 4112913 >> 4112914
Original COD entry Download CIF Download DOT

Citation: Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov (2004). Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure. Journal of the American Chemical Society, 126, pp. 10502-10503.

Formula: C8 H4 O11.08 Zn3.02

Chemical name: {[Zn3(O)0.75[C4H4O(COO)4](OH)0.5(H2O)0.83} x [Zn(OH)2(H2O)4]0.02

Cell parameters:

  • a = 20.4820(10) Å
  • b = 20.4820(10) Å
  • c = 20.4820(10) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C192 H96 O272 Zn100 (C48 H24 O68 Zn25)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 7, 14, 26, 44, 71, 92, 112, 152
  • 1, 3, 7, 15, 29, 43, 65, 91, 111, 146
  • 1, 3, 8, 9, 22, 51, 67, 85, 120, 137
  • 1, 3, 8, 10, 24, 48, 64, 87, 118, 135
  • 2, 7, 14, 29, 46, 64, 87, 118, 174, 222
  • 2, 7, 16, 29, 47, 58, 80, 120, 178, 223
  • 2, 10, 23, 38, 48, 62, 82, 126, 165, 240
  • 2, 10, 24, 40, 47, 64, 82, 117, 164, 236
  • 3, 5, 16, 28, 43, 70, 89, 105, 162, 199
  • 3, 6, 9, 24, 39, 69, 99, 120, 144, 156
  • 3, 6, 20, 29, 45, 71, 88, 111, 160, 206
  • 3, 6, 20, 35, 38, 67, 90, 109, 160, 226
  • 3, 7, 24, 36, 40, 67, 87, 113, 156, 228
  • 3, 11, 17, 33, 55, 77, 103, 125, 180, 221
  • 3, 11, 19, 33, 56, 76, 103, 127, 182, 227
  • 3, 14, 24, 32, 49, 72, 88, 124, 174, 235
  • 3, 16, 29, 37, 51, 60, 78, 118, 177, 264
  • 3, 16, 30, 41, 51, 62, 81, 117, 182, 272
  • 4, 7, 14, 26, 44, 71, 92, 112, 152, 205
  • 4, 7, 15, 29, 43, 65, 91, 111, 146, 188
  • 4, 8, 9, 22, 51, 67, 85, 120, 137, 185
  • 4, 8, 10, 24, 48, 64, 87, 118, 135, 187
  • 4, 21, 31, 44, 54, 67, 82, 129, 208, 303
  • 5, 8, 17, 33, 57, 91, 114, 133, 151, 223
  • 5, 17, 30, 44, 48, 60, 73, 85, 161, 283
  • 6, 13, 24, 43, 61, 71, 95, 160, 211, 245
  • 9, 22, 33, 47, 58, 66, 103, 153, 224, 315
  • 11, 25, 38, 46, 56, 65, 82, 136, 236, 337
  • 12, 24, 36, 48, 48, 72, 72, 96, 204, 336
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